Home Carboxys 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid methyl ester hydrochloride

1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid methyl ester hydrochloride

CAS No.:
212958-77-5
Catalog Number:
AG00BHPH
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
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Product Description
Catalog Number:
AG00BHPH
Chemical Name:
1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid methyl ester hydrochloride
CAS Number:
212958-77-5
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD18914343
IUPAC Name:
methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-9-5-3-2-4-8(9)6-7-12-10;/h2-5,10,12H,6-7H2,1H3;1H
InChI Key:
DSWUNNVFNAJVCA-UHFFFAOYSA-N
SMILES:
COC(=O)C1NCCc2c1cccc2.Cl
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties